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101573-65-3 | Isoquinoline, 3-(chloromethyl)-1,2,3,4-tetrahydro-2-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 101573-65-3 Catalog No: AG0004TP MDL No:
Product Description
Catalog Number:
AG0004TP
Chemical Name:
Isoquinoline, 3-(chloromethyl)-1,2,3,4-tetrahydro-2-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
101573-65-3
Molecular Formula:
C17H19Cl2N
Molecular Weight:
308.2455
IUPAC Name:
2-benzyl-3-(chloromethyl)-3,4-dihydro-1H-isoquinoline;chloride
InChI:
InChI=1S/C17H18ClN.ClH/c18-11-17-10-15-8-4-5-9-16(15)13-19(17)12-14-6-2-1-3-7-14;/h1-9,17H,10-13H2;1H/p-1
InChI Key:
BOPMZDBMFODSNA-UHFFFAOYSA-M
SMILES:
ClCC1Cc2ccccc2CN1Cc1ccccc1.Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.082g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.238g/mol
Monoisotopic Mass:
306.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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